0 mol 48 unq 0 iso 0 dist 9.04514 9.66389 5.35252 7.35749 9.79657 10.6637 13.5738 5.43494 9.40644 11.7677 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.70196 4.64745 8.16246 9.11627 6.29755 10.4221 9.25341 5.58256 9.48823 7.4038 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 9.25341 4.64745 9.48823 9.11627 7.4038 10.4221 9.70196 5.58256 8.16246 6.29755 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 8.95571 11.806 9.24055 10.0549 9.34552 12.3514 10.6565 5.25318 5.24742 12.2917 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 8.95571 12.3757 9.66898 10.0549 9.34552 7.15478 10.6565 5.25318 9.29433 12.2917 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.62244 10.5984 7.15248 7.5068 9.8048 12.8718 17.6779 11.9277 7.51967 17.7916 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 8.62244 10.5984 7.15248 7.5068 9.8048 12.8718 14.6176 9.42543 6.04303 13.7104 numMergedOcc 0
7 mol 67 unq 2 iso 0 dist 8.62244 9.67456 8.43162 7.5068 9.8048 9.08666 14.6176 9.42543 6.12267 13.7104 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.73093 12.3943 7.48556 8.84457 8.08507 15.0455 9.1622 8.96403 9.47045 14.4663 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.73093 12.3943 7.48556 8.84457 8.08507 15.0455 12.2532 7.99821 8.68218 14.7716 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 8.02104 9.57143 7.48556 10.8656 8.08507 15.0455 7.59013 8.96403 9.47045 14.4663 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 8.02104 9.57143 7.48556 10.8656 8.08507 15.0455 10.8016 7.99821 8.68218 14.7716 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 6.0782 5.66126 8.97652 7.60712 9.84649 4.92164 7.58913 5.77399 8.29364 11.5589 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 9.85164 9.60838 11.315 15.9248 10.4327 8.72949 18.9497 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 9.78743 13.2525 6.2016 9.99333 5.83093 6.16078 11.7278 6.63296 8.3453 11.2722 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 8.47833 11.2438 6.43519 9.61557 8.27071 5.07259 14.7719 9.98031 4.81837 9.27861 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 5.47586 7.47443 6.43519 7.43264 8.27071 5.07259 10.6964 9.98031 4.81837 9.27861 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 6.19545 5.27724 5.15923 10.5258 9.30394 11.7624 12.2535 7.06161 8.40726 14.9702 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 6.19545 5.27724 5.15923 5.45438 5.84467 5.58788 12.2535 7.06161 8.40726 11.5539 numMergedOcc 0
19 mol 287 unq 2 iso 0 dist 7.3388 5.66584 6.96774 10.5636 9.84741 7.43524 6.96248 7.11169 7.14859 13.972 numMergedOcc 0
20 mol 287 unq 3 iso 0 dist 6.96248 5.66584 7.14859 10.5258 8.5458 14.0575 7.3388 7.11169 6.96774 13.9195 numMergedOcc 0
21 mol 287 unq 4 iso 0 dist 6.96248 5.66584 7.14859 5.45438 8.56533 10.6005 7.3388 7.11169 6.96774 11.3395 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 6.19545 5.27724 5.15923 10.5258 9.30394 11.7624 12.2535 7.06161 8.40726 14.9702 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 6.19545 5.27724 5.15923 5.45438 5.84467 5.58788 12.2535 7.06161 8.40726 11.5539 numMergedOcc 0
24 mol 288 unq 2 iso 0 dist 7.3388 5.66584 6.96774 10.5636 9.84741 7.43524 6.96248 7.11169 7.14859 13.972 numMergedOcc 0
25 mol 288 unq 3 iso 0 dist 6.96248 5.66584 7.14859 10.5258 8.5458 14.0575 7.3388 7.11169 6.96774 13.9195 numMergedOcc 0
26 mol 288 unq 4 iso 0 dist 6.96248 5.66584 7.14859 5.45438 8.56533 10.6005 7.3388 7.11169 6.96774 11.3395 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 6.19545 5.27724 5.15923 10.5258 9.30394 11.7624 12.2535 7.06161 8.40726 14.9702 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 6.19545 5.27724 5.15923 5.45438 5.84467 5.58788 12.2535 7.06161 8.40726 11.5539 numMergedOcc 0
29 mol 289 unq 2 iso 0 dist 7.3388 5.66584 6.96774 10.5636 9.84741 7.43524 6.96248 7.11169 7.14859 13.972 numMergedOcc 0
30 mol 289 unq 3 iso 0 dist 6.96248 5.66584 7.14859 10.5258 8.5458 14.0575 7.3388 7.11169 6.96774 13.9195 numMergedOcc 0
31 mol 289 unq 4 iso 0 dist 6.96248 5.66584 7.14859 5.45438 8.56533 10.6005 7.3388 7.11169 6.96774 11.3395 numMergedOcc 0
